Basic information
- CAS
115170-39-3- Standard SMILES
Clc1ccc(-c2nc3c(cc2Br)CCCO3)cc1- InChIKey
UIKDMSPCAGGRBG-UHFFFAOYSA-N- Molecular formula
- C14H11BrClNO
- Average molar mass
- 324.6 g/mol
- Monoisotopic mass
- 322.97125
Names & identifiers
- Preferred name
- 6-bromo-7-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
- IUPAC
- 6-bromo-7-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
Names & synonyms
SCHEMBL25257298DTXSID2011738966-bromo-7-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine115170-39-3
Database identifiers
- CAS
115170-39-3- PubChem CID
- 85555880
- DTXSID
DTXSID201173896
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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